tert-butyl-[(E)-hept-3-en-5-ynoxy]-dimethylsilane

C13H24OSi — CID 102422553

IUPACtert-butyl-[(E)-hept-3-en-5-ynoxy]-dimethylsilane
SMILESCC#C/C=C/CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H24OSi/c1-7-8-9-10-11-12-14-15(5,6)13(2,3)4/h9-10H,11-12H2,1-6H3/b10-9+
InChIKeyREWBDJRPNKWIAP-MDZDMXLPSA-N
MW224.42 g/mol
LogP3.98
Rot. Bonds4

About tert-butyl-[(E)-hept-3-en-5-ynoxy]-dimethylsilane

tert-butyl-[(E)-hept-3-en-5-ynoxy]-dimethylsilane (PubChem CID 102422553) has the molecular formula C13H24OSi and a molecular weight of 224.42 g/mol. Its IUPAC name is tert-butyl-[(E)-hept-3-en-5-ynoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E)-hept-3-en-5-ynoxy]-dimethylsilane
PubChem CID102422553
Molecular FormulaC13H24OSi
Molecular Weight224.42 g/mol
Exact Mass224.16
IUPAC Nametert-butyl-[(E)-hept-3-en-5-ynoxy]-dimethylsilane
SMILESCC#C/C=C/CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H24OSi/c1-7-8-9-10-11-12-14-15(5,6)13(2,3)4/h9-10H,11-12H2,1-6H3/b10-9+
InChIKeyREWBDJRPNKWIAP-MDZDMXLPSA-N
XLogP3.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.42
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(But-3-enyloxy)(tert-butyl)dimethylsilane
CID 10008065
4-Hexen-1-ol, (4E)-, tert-butyldimethylsilyl ether
CID 15936622
cis-2-Penten-1-ol, tert-butyldimethylsilyl ether
CID 88150799
cis-2-Hexen-1-ol, tert-butyldimethylsilyl ether
CID 91697283
trans-3-Hexen-1-ol, tert-butyldimethylsilyl ether
CID 12010767
cis-3-Hexen-1-ol, tert-butyldimethylsilyl ether
CID 91722567
tert-butyl-[(E)-hex-2-enoxy]-dimethylsilane
CID 10987644
tert-Butyl(hepta-3,6-dienyloxy)dimethylsilane
CID 14214598
tert-butyl-[(Z)-hex-4-enoxy]-dimethylsilane
CID 162397527
tert-butyl-dimethyl-[(E)-pent-2-enoxy]silane
CID 58205919
(Z)-2,2-diisopropyl-4,5,8,9-tetrahydro-1,3,2-dioxasilonine
CID 139030244
tert-butyl-[(Z)-4-fluorohept-3-en-6-ynoxy]-dimethylsilane
CID 20063390

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E)-hept-3-en-5-ynoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(E)-hept-3-en-5-ynoxy]-dimethylsilane (CID 102422553) is tert-butyl-[(E)-hept-3-en-5-ynoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E)-hept-3-en-5-ynoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(E)-hept-3-en-5-ynoxy]-dimethylsilane is CC#C/C=C/CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(E)-hept-3-en-5-ynoxy]-dimethylsilane?
The InChIKey is REWBDJRPNKWIAP-MDZDMXLPSA-N. The full InChI is InChI=1S/C13H24OSi/c1-7-8-9-10-11-12-14-15(5,6)13(2,3)4/h9-10H,11-12H2,1-6H3/b10-9+.
What are the key properties of tert-butyl-[(E)-hept-3-en-5-ynoxy]-dimethylsilane?
tert-butyl-[(E)-hept-3-en-5-ynoxy]-dimethylsilane has a molecular weight of 224.42 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E)-hept-3-en-5-ynoxy]-dimethylsilane is sourced from PubChem (CID 102422553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).